COMPND    HMDB0014608
HETATM    1  O1  UNL     1       0.867  -1.828  -1.470  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.121  -0.972  -0.590  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.425  -0.344  -0.441  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.545  -1.010  -0.837  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.782  -0.425  -0.711  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.908   0.849  -0.180  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.761   1.494   0.210  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.511   0.912   0.087  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.059  -0.591   0.325  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.259  -0.167   1.627  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.002   0.091   2.121  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.946  -0.178   1.122  1.00  0.00           C  
HETATM   13  N1  UNL     1      -1.263  -0.584   0.063  1.00  0.00           N  
HETATM   14  C12 UNL     1      -2.150  -0.897  -1.055  1.00  0.00           C  
HETATM   15  C13 UNL     1      -3.505  -1.077  -0.415  1.00  0.00           C  
HETATM   16  C14 UNL     1      -3.396  -0.183   0.797  1.00  0.00           C  
HETATM   17  C15 UNL     1      -3.873   1.179   0.409  1.00  0.00           C  
HETATM   18  O2  UNL     1      -4.774   1.761   1.057  1.00  0.00           O  
HETATM   19  O3  UNL     1      -3.303   1.799  -0.688  1.00  0.00           O  
HETATM   20  H1  UNL     1       3.465  -1.999  -1.252  1.00  0.00           H  
HETATM   21  H2  UNL     1       5.642  -0.968  -1.029  1.00  0.00           H  
HETATM   22  H3  UNL     1       5.855   1.349  -0.060  1.00  0.00           H  
HETATM   23  H4  UNL     1       3.818   2.482   0.627  1.00  0.00           H  
HETATM   24  H5  UNL     1       1.618   1.462   0.404  1.00  0.00           H  
HETATM   25  H6  UNL     1       1.172  -0.045   2.191  1.00  0.00           H  
HETATM   26  H7  UNL     1      -1.295   0.440   3.094  1.00  0.00           H  
HETATM   27  H8  UNL     1      -2.150  -0.042  -1.759  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.804  -1.828  -1.550  1.00  0.00           H  
HETATM   29  H10 UNL     1      -4.267  -0.724  -1.141  1.00  0.00           H  
HETATM   30  H11 UNL     1      -3.661  -2.153  -0.133  1.00  0.00           H  
HETATM   31  H12 UNL     1      -3.923  -0.575   1.670  1.00  0.00           H  
HETATM   32  H13 UNL     1      -3.493   2.774  -0.899  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    9
CONECT    3    4    4    8
CONECT    4    5   20
CONECT    5    6    6   21
CONECT    6    7   22
CONECT    7    8    8   23
CONECT    8   24
CONECT    9   10   10   13
CONECT   10   11   25
CONECT   11   12   12   26
CONECT   12   13   16
CONECT   13   14
CONECT   14   15   27   28
CONECT   15   16   29   30
CONECT   16   17   31
CONECT   17   18   18   19
CONECT   19   32
END